N-[(Z)-(2-methyl-3-phenylprop-2-enylidene)amino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine

C21H27N7O2 — CID 6750186

IUPACN-[(Z)-(2-methyl-3-phenylprop-2-enylidene)amino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
SMILESCC(=Cc1ccccc1)/C=N\Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C21H27N7O2/c1-17(15-18-5-3-2-4-6-18)16-22-26-19-23-20(27-7-11-29-12-8-27)25-21(24-19)28-9-13-30-14-10-28/h2-6,15-16H,7-14H2,1H3,(H,23,24,25,26)/b17-15?,22-16-
InChIKeyXWWGCOKYCHJQCX-PVSLEDGRSA-N
MW409.49 g/mol
LogP2.05
Rot. Bonds6

About N-[(Z)-(2-methyl-3-phenylprop-2-enylidene)amino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine

N-[(Z)-(2-methyl-3-phenylprop-2-enylidene)amino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 6750186) has the molecular formula C21H27N7O2 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-[(Z)-(2-methyl-3-phenylprop-2-enylidene)amino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[(Z)-(2-methyl-3-phenylprop-2-enylidene)amino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID6750186
Molecular FormulaC21H27N7O2
Molecular Weight409.49 g/mol
Exact Mass409.22
IUPAC NameN-[(Z)-(2-methyl-3-phenylprop-2-enylidene)amino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
SMILESCC(=Cc1ccccc1)/C=N\Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C21H27N7O2/c1-17(15-18-5-3-2-4-6-18)16-22-26-19-23-20(27-7-11-29-12-8-27)25-21(24-19)28-9-13-30-14-10-28/h2-6,15-16H,7-14H2,1H3,(H,23,24,25,26)/b17-15?,22-16-
InChIKeyXWWGCOKYCHJQCX-PVSLEDGRSA-N
XLogP2.05
TPSA88.00 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(Z)-(2-methyl-3-phenylprop-2-enylidene)amino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 6870742
4-N-(4-methylphenyl)-2-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 171981603
N-(benzylideneamino)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 2849563
N-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-3-phenylprop-2-enehydrazonoyl bromide
CID 1000397
2-N-[[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
CID 2301718
4-[(2E)-2-benzylidenehydrazinyl]-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile
CID 110178614
2-N-(cinnamylideneamino)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 78460795
[3-[(E)-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenyl] benzoate
CID 5334072
N-[(Z)-(2,4-dimethyl-1-phenylpyrrol-3-yl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 6081116
4-[[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol
CID 3667808
2-N-[[4-(dimethylamino)phenyl]methylideneamino]-6-morpholin-4-yl-4-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine
CID 4289951
2-[2-[[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 4767404

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-methyl-3-phenylprop-2-enylidene)amino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-[(Z)-(2-methyl-3-phenylprop-2-enylidene)amino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine (CID 6750186) is N-[(Z)-(2-methyl-3-phenylprop-2-enylidene)amino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[(Z)-(2-methyl-3-phenylprop-2-enylidene)amino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-[(Z)-(2-methyl-3-phenylprop-2-enylidene)amino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine is CC(=Cc1ccccc1)/C=N\Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1.
What is the InChIKey of N-[(Z)-(2-methyl-3-phenylprop-2-enylidene)amino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is XWWGCOKYCHJQCX-PVSLEDGRSA-N. The full InChI is InChI=1S/C21H27N7O2/c1-17(15-18-5-3-2-4-6-18)16-22-26-19-23-20(27-7-11-29-12-8-27)25-21(24-19)28-9-13-30-14-10-28/h2-6,15-16H,7-14H2,1H3,(H,23,24,25,26)/b17-15?,22-16-.
What are the key properties of N-[(Z)-(2-methyl-3-phenylprop-2-enylidene)amino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
N-[(Z)-(2-methyl-3-phenylprop-2-enylidene)amino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 409.49 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-methyl-3-phenylprop-2-enylidene)amino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 6750186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).